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DocumentationIdentifier: MM393602
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM393602 |
| SMILES |
C#CCNC(C#N)C(=N)N
|
| InChIKey |
XVPADQZOZKZTPU-UHFFFAOYSA-N
|
| MW [Da] |
136.16
Automatically obtained from RDkit software. |
| LogP |
-0.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179964
Similarity: 0.8045
Similarity to MM179964
| Tanimoto metric | 0.8045 |
|---|---|
| Cosine metric | 0.8969 |
| Dice metric | 0.8917 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33178
Similarity: 0.7297
Similarity to MM33178
| Tanimoto metric | 0.7297 |
|---|---|
| Cosine metric | 0.8444 |
| Dice metric | 0.8438 |
| MW: | 137.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM393495
Similarity: 0.6859
Similarity to MM393495
| Tanimoto metric | 0.6859 |
|---|---|
| Cosine metric | 0.8137 |
| Dice metric | 0.8137 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+33 more
